U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ReN2(OF4)2 by Materials Project
Abstract
ReF8(NO)2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight nitroxyl molecules and four ReF8 clusters. In each ReF8 cluster, Re4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Re–F bond distances ranging from 1.93–1.99 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Re4+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Re4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Re4+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Re4+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Re4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-623064
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; ReN2(OF4)2; F-N-O-Re
- OSTI Identifier:
- 1278178
- DOI:
- https://doi.org/10.17188/1278178
Citation Formats
The Materials Project. Materials Data on ReN2(OF4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1278178.
The Materials Project. Materials Data on ReN2(OF4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1278178
The Materials Project. 2020.
"Materials Data on ReN2(OF4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1278178. https://www.osti.gov/servlets/purl/1278178. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1278178,
title = {Materials Data on ReN2(OF4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {ReF8(NO)2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight nitroxyl molecules and four ReF8 clusters. In each ReF8 cluster, Re4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Re–F bond distances ranging from 1.93–1.99 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Re4+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Re4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Re4+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Re4+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Re4+ atom.},
doi = {10.17188/1278178},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}